(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride

C11H18ClN3O2S — CID 119968968

IUPAC(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C11H17N3O2S.ClH/c12-7-10-3-2-6-14(9-10)17(15,16)11-4-1-5-13-8-11;/h1,4-5,8,10H,2-3,6-7,9,12H2;1H
InChIKeyUAHHHEQUKPAFNT-UHFFFAOYSA-N
MW291.80 g/mol
LogP0.86
Rot. Bonds3

About (1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride

(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride (PubChem CID 119968968) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is (1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
PubChem CID119968968
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C11H17N3O2S.ClH/c12-7-10-3-2-6-14(9-10)17(15,16)11-4-1-5-13-8-11;/h1,4-5,8,10H,2-3,6-7,9,12H2;1H
InChIKeyUAHHHEQUKPAFNT-UHFFFAOYSA-N
XLogP0.86
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
3-(3-isocyanatopiperidin-1-yl)sulfonylpyridine
CID 24706355
3-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]sulfonylpyridine
CID 42522293
3-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]sulfonylpyridine
CID 45231607
3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993043
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine
CID 60977763

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
The IUPAC name of (1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride (CID 119968968) is (1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride is Cl.NCC1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of (1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
The InChIKey is UAHHHEQUKPAFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S.ClH/c12-7-10-3-2-6-14(9-10)17(15,16)11-4-1-5-13-8-11;/h1,4-5,8,10H,2-3,6-7,9,12H2;1H.
What are the key properties of (1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride?
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride has a molecular weight of 291.80 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 119968968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).